NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3089	3.237	2.063	?A	0.958
3089	3.237	17.72	?A	0.958
3087	3.24	9.74	?A	0.958
3086	3.24	2.158	?A	0.958
3085	3.241	2.428	?A	0.958
3075	3.252	0.1362	?A	0.958
3075	3.252	0.0104	?A	0.958
3072	3.255	1.396	?A	0.958
3072	3.255	0.6473	?A	0.958
3072	3.256	0.9737	?A	0.958
1593	6.276	2.426	?A	0.958
1584	6.314	31.98	?A	0.958
1551	6.446	192.2	?A	0.958
1529	6.541	6.106	?A	0.958
1519	6.583	184.4	?A	0.958
1482	6.749	0.0417	?A	0.958
1451	6.89	0.8884	?A	0.958
1440	6.943	3.688	?A	0.958
1426	7.014	0.721	?A	0.958
1411	7.085	17.42	?A	0.958
1408	7.101	3.404	?A	0.958
1406	7.111	0.2722	?A	0.958
1396	7.162	118.6	?A	0.958
1366	7.319	17.18	?A	0.958
1327	7.536	55.43	?A	0.958
1301	7.685	47.54	?A	0.958
1268	7.887	192.2	?A	0.958
1256	7.961	104.4	?A	0.958
1242	8.049	69.6	?A	0.958
1233	8.11	0.4039	?A	0.958
1209	8.273	13.92	?A	0.958
1180	8.476	22.44	?A	0.958
1178	8.488	30.08	?A	0.958
1156	8.653	140.8	?A	0.958
1153	8.674	114.8	?A	0.958
1148	8.714	3.186	?A	0.958
1141	8.761	0.3617	?A	0.958
1079	9.267	9.506	?A	0.958
1076	9.29	479.2	?A	0.958
1068	9.367	394.5	?A	0.958
1001	9.989	223.9	?A	0.958
988.4	10.12	3.11	?A	0.958
988.3	10.12	1.285	?A	0.958
976.6	10.24	8.704	?A	0.958
972.9	10.28	10.87	?A	0.958
966.6	10.35	0.0476	?A	0.958
931.4	10.74	15.11	?A	0.958
923.4	10.83	33.85	?A	0.958
875.3	11.42	135.6	?A	0.958
852.3	11.73	1.34	?A	0.958
836.8	11.95	0.0347	?A	0.958
834.7	11.98	46.28	?A	0.958
832.4	12.01	72.94	?A	0.958
787.5	12.7	5.179	?A	0.958
783.2	12.77	7.74	?A	0.958
761.8	13.13	1.629	?A	0.958
752.2	13.29	1.644	?A	0.958
738.3	13.54	17.44	?A	0.958
735.4	13.6	35.81	?A	0.958
640.4	15.62	0.097	?A	0.958
636.8	15.7	10.19	?A	0.958
625.7	15.98	18.77	?A	0.958
616.2	16.23	32.64	?A	0.958
594	16.84	1.068	?A	0.958
578.7	17.28	3.253	?A	0.958
566.4	17.66	23.4	?A	0.958
544.7	18.36	2.605	?A	0.958
537.7	18.6	0.9055	?A	0.958
524.1	19.08	17.96	?A	0.958
520.5	19.21	3.751	?A	0.958
488.5	20.47	20.04	?A	0.958
439.7	22.74	0.0889	?A	0.958
422.1	23.69	0.125	?A	0.958
402.7	24.83	30.29	?A	0.958
399.3	25.05	17.35	?A	0.958
380.6	26.28	70.23	?A	0.958
300.5	33.27	3.241	?A	0.958
288.4	34.67	21.14	?A	0.958
266.2	37.57	33.88	?A	0.958
260.5	38.39	2.252	?A	0.958
186	53.77	93.74	?A	0.958
142.8	70.01	5.383	?A	0.958
130.7	76.49	3.259	?A	0.958
45.44	220	112.3	?A	0.958

Vibrations

Note(s):

Bowl cation

You are kindly asked to consider the following references for citation when using the database:

Bauschlicher, Jr., C.W., Ricca, A., Boersma, C., Allamandola, L.J., "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: COMPUTATIONAL VERSION 3.00 WITH UPDATED CONTENT AND THE INTRODUCTION OF MULTIPLE SCALING FACTORS", The Astrophysical Journal Supplement Series, 234, 32, 2018 10.3847/1538-4365/aaa019 — BibTeX - RIS
Boersma, C., Bauschlicher, Jr., C.W., Ricca, A., Mattioda, A.L., Cami, J., Peeters, E., Sánchez de Armas, F., Puerta Saborido, G., Hudgins, D.M., Allamandola, L.J., "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE VERSION 2.00: UPDATED CONTENT, WEBSITE AND ON/OFFLINE TOOLS", The Astrophysical Journal Supplement Series, 211, 8, 2014 10.1088/0067-0049/211/1/8 — BibTeX - RIS
Mattioda, A.L., Hudgins, D. M., Boersma, C., Ricca, A., Peeters, E., Cami, J., Sánchez de Armas, F., Puerta Saborido, G., Bauschlicher, C.W., J., and Allamandola, L.J. "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: THE LABORATORY SPECTRA", The Astrophysical Journal Supplement Series, 251, 22, 2020 10.3847/1538-4365/abc2c8 — BibTeX - RIS
Ricca, A., Boersma, C., Maragkoudakis, A., Roser, J.E., Shannon, M.J., Allamandola, L.J., Bauschlicher Jr., C.W., "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: COMPUTATIONAL VERSION 4.00, SOFTWARE TOOLS, WEBSITE, AND DOCUMENTATION", The Astrophysical Journal Supplement Series, XXX, YYY, 2025 10.3847/1538-4365/ae1c38 — BibTeX - RIS